2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide

C13H26N2O2 — CID 65051480

IUPAC2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
SMILESCCNC(=O)C(C)OC1(CN)CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-15-12(16)11(2)17-13(10-14)8-6-4-5-7-9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyIZSWDDKMVJSKOZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds5

About 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide

2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide (PubChem CID 65051480) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
PubChem CID65051480
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
SMILESCCNC(=O)C(C)OC1(CN)CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-15-12(16)11(2)17-13(10-14)8-6-4-5-7-9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyIZSWDDKMVJSKOZ-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602
2-[1-(aminomethyl)cyclohexyl]oxy-N-(furan-2-ylmethyl)propanamide
CID 65050880
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
CID 65051383
2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide
CID 65051692
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65050735
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
(1-butan-2-yloxycyclohexyl)methanamine
CID 62108209
(1-butan-2-yloxycycloheptyl)methanamine
CID 62108575

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide (CID 65051480) is 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide is CCNC(=O)C(C)OC1(CN)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide?
The InChIKey is IZSWDDKMVJSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-15-12(16)11(2)17-13(10-14)8-6-4-5-7-9-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide?
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide is sourced from PubChem (CID 65051480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).